CID 3017758

67356-94-9

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC(=O)N1CCN=C1NC2=CC=CC3=C2CCC3
InChI
InChI=1S/C14H17N3O/c1-10(18)17-9-8-15-14(17)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKey
WGCQZEQXKNFPJL-UHFFFAOYSA-N
Compound name
1-[2-(2,3-dihydro-1H-inden-4-ylamino)-4,5-dihydroimidazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.13716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.144436 156.3
[M+Na]+ 266.126378 163.0
[M-H]- 242.129884 161.4
[M+NH4]+ 261.170983 175.3
[M+K]+ 282.100318 159.6
[M+H-H2O]+ 226.134420 148.2
[M+HCOO]- 288.135361 177.1
[M+CH3COO]- 302.151011 168.1
[M+Na-2H]- 264.111826 157.8
[M]+ 243.13661142 154.1
[M]- 243.13770858 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe